5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane

C9H10F8O2 — CID 58825814

IUPAC5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane
SMILESC=COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H10F8O2/c1-2-18-3-4-19-5-7(12,13)9(16,17)8(14,15)6(10)11/h2,6H,1,3-5H2
InChIKeyXNTJIWGHNZINRV-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.33
Rot. Bonds9

About 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane

5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane (PubChem CID 58825814) has the molecular formula C9H10F8O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane
PubChem CID58825814
Molecular FormulaC9H10F8O2
Molecular Weight302.16 g/mol
Exact Mass302.06
IUPAC Name5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane
SMILESC=COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H10F8O2/c1-2-18-3-4-19-5-7(12,13)9(16,17)8(14,15)6(10)11/h2,6H,1,3-5H2
InChIKeyXNTJIWGHNZINRV-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane (CID 58825814) is 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane is C=COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane?
The InChIKey is XNTJIWGHNZINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O2/c1-2-18-3-4-19-5-7(12,13)9(16,17)8(14,15)6(10)11/h2,6H,1,3-5H2.
What are the key properties of 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane?
5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane has a molecular weight of 302.16 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 58825814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).